N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H21ClF2N2O2S — CID 119935276

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H20F2N2O2S.ClH/c1-19(14(20)8-12-10-22-7-6-18-12)9-11-2-4-13(5-3-11)21-15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H
InChIKeyXYXBCHUSLKRMHN-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.76
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935276) has the molecular formula C15H21ClF2N2O2S and a molecular weight of 366.86 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935276
Molecular FormulaC15H21ClF2N2O2S
Molecular Weight366.86 g/mol
Exact Mass366.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H20F2N2O2S.ClH/c1-19(14(20)8-12-10-22-7-6-18-12)9-11-2-4-13(5-3-11)21-15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H
InChIKeyXYXBCHUSLKRMHN-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681824
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935276) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CN(Cc1ccc(OC(F)F)cc1)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is XYXBCHUSLKRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S.ClH/c1-19(14(20)8-12-10-22-7-6-18-12)9-11-2-4-13(5-3-11)21-15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).